MMs02682223 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -1.4744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1242 -0.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 -4.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 -3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -2.4504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -1.9520 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 -0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -3.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6929 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3833 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5224 -0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2467 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8319 -2.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3857 -2.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -4.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8005 -2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0762 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9371 0.0418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9782 -4.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9395 -3.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6638 -4.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 1.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 -1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -3.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 -4.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -5.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 -5.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -5.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -3.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 0.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 1.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6113 -3.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2080 -0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3543 -2.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2655 -3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 41 42 1 0 0 0 0 M END